BAFETINIB ,887650-05-7 _Chemical Cloud Database

BAFETINIB

Basic Information
Product Name：	BAFETINIB
CAS：	887650-05-7 ;859212-16-1
English Synonyms：	N-[3-([5,5'-BIPYRIMIDIN]-2-YLAMINO)-4-METHYLPHENYL]-4-[[(3S)-3-(DIMETHYLAMINO)-1-PYRROLIDINYL]METHYL]-3-(TRIFLUOROMETHYL)BENZAMIDE ; (S)-N-(3-([4,5'-BIPYRIMIDIN]-2-YLAMINO)-4-METHYLPHENYL)-4-((3-(DIMETHYLAMINO)PYRROLIDIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZAMIDE ; BAFETINIB ; 4-[[(3S)-3-DIMETHYLAMINOPYRROLIDIN-1-YL]METHYL]-N-[4-METHYL-3-[(4-PYRIMIDIN-5-YLPYRIMIDIN-2-YL)AMINO]PHENYL]-3-(TRIFLUOROMETHYL)BENZAMIDE ; N-[3-([4,5'-BIPYRIMIDIN]-2-YLAMINO)-4-METHYLPHENYL]-4-[[(3S)-3-(DIMETHYLAMINO)-1-PYRROLIDINYL] METHYL]-3-(TRIFLUOROMETHYL)-BENZAMIDE ; INNO-406 ; BAFETINIB (INNO-406) ; NS-187
MDL Number.：	MFCD11973647
H bond acceptor：	9
H bond donor：	2
Smile：	Cc1ccc(cc1Nc2ncc(cn2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CC[C@@H](C5)N(C)C
InChi：	InChI=1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1
InChiKey：	InChIKey=ZOPBZHLJXQAQON-VWLOTQADSA-N
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